You can:
Name | Substance-P receptor |
---|---|
Species | Cavia porcellus (Guinea pig) |
Gene | TACR1 |
Synonym | NK-1 receptor NK-1R SPR Tachykinin receptor 1 |
Disease | N/A for non-human GPCRs |
Length | 407 |
Amino acid sequence | MDNVLPVDSDLFPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPGRVVCMIEWPSHPDKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAADYEGLEMKSTRYFQTQGSVYKVSRLETTISTVVGAHEEDPEEGPKATPSSLDLTSNGSSRSNSKTVTESSSFYSNMLS |
UniProt | P30547 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL3942 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL2370058 |
---|---|
Molecular formula | C45H63N11O8 |
IUPAC name | tert-butyl N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2R)-3-(1H-indol-3-yl)-1-[[(2S)-1-[(2R)-2-[(2S)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamate |
Molecular weight | 886.068 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 8 |
XlogP | 2.1 |
Synonyms | N/A |
Inchi Key | GAXLHOMRDONJTO-ILHQSSGPSA-N |
Inchi ID | InChI=1S/C45H63N11O8/c1-27(51-38(58)32(18-11-21-49-43(46)47)54-44(63)64-45(2,3)4)37(57)52-33(25-29-26-50-31-17-10-9-16-30(29)31)39(59)53-34(24-28-14-7-6-8-15-28)41(61)56-23-13-20-36(56)42(62)55-22-12-19-35(55)40(60)48-5/h6-10,14-17,26-27,32-36,50H,11-13,18-25H2,1-5H3,(H,48,60)(H,51,58)(H,52,57)(H,53,59)(H,54,63)(H4,46,47,49)/t27-,32-,33+,34-,35-,36+/m0/s1 |
PubChem CID | 73356094 |
ChEMBL | CHEMBL2370058 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
pKB | 5.1 - | PMID1321907 | ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417